SCHEMBL6418484

SCHEMBL6418484

CN1Cc2cc(OCCCN(C)c3ccccn3)ccc2CC(CC(=O)O)C1=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.70
ITGAV P06756 9/20 0.70
ITGA2B P08514 7/20 0.70
ITGB5 P18084 2/20 0.46
ITGB1 P05556 1/20 0.46
PPARD Q03181 8/20 0.44
PPARA Q07869 7/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6419493 0.83 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL328727 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6418681 0.80 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419667 0.77 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6420692 0.77 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6420936 0.77 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7401681 0.76 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7401684 0.76 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6420930 0.76 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6420073 0.76 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB5ITGB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.